(3β,20R)-3-Aminopregn-5-En-20-Ol

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Properties Simple | Detailed

Formula C21H35NO
IUPAC Name (1r)-1-[(3s,8s,9s,10r,13s,14s,17s)-3-amino-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethanol
Molecular Mass 317.509 g·mol−1
Heat of Formation -372.4 ± 16.7 kJ·mol−1
Dipole Moment 1.47 ± 1.08 D
Volume 425.56 Å 3
Surface Area 337.47 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy 1.28 ± eV
Point Group Symmetry C1
Synonyms
  • (1r)-1-[(3s,8s,9s,10r,13s,14s,17s)-3-amino-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethanol
  • 3beta-amino-20 beta-hydroxypregn-5-ene
  • holaphyllaminol
  • pregn-5-en-20-ol, 3-amino-, (3beta,20r)-
CAS Number(s)
  • 17941-92-3
InChIKey YSLHAWNJHCEAOF-NFJVIFTASA-N
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